SCHEMBL6702995

SCHEMBL6702995

COC(=O)Cn1c(C(=O)NC(N)=S)cc2c(C)c(C)ccc21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.42
MAPT P10636 5/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 4/20 0.38
LMNA P02545 2/20 0.38
HK1 P19367 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.35
KMT2A Q03164 2/20 0.35
DYRK1A Q13627 1/20 0.34
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
PKN1 Q16512 1/20 0.33
PKN2 Q16513 1/20 0.33
MEN1 O00255 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6703577 0.82 HSD17B10 (0.48) HSD17B10MAPTALDH1A1KDM4ELMNA
SCHEMBL6704936 0.81 MAPT (0.44) HSD17B10MAPTALDH1A1KDM4ELMNA
SCHEMBL6704684 0.80 MAPT (0.51) HSD17B10MAPTALDH1A1KDM4ELMNA
SCHEMBL6699798 0.77 ALDH1A1 (0.51) HSD17B10MAPTALDH1A1KDM4ELMNA
SCHEMBL6700565 0.74 ALDH1A1 (0.37) HSD17B10MAPTALDH1A1KDM4ELMNA
SCHEMBL13100003 0.71 KDM4E (0.48) HSD17B10MAPTALDH1A1KDM4ELMNA
SCHEMBL5439906 0.70 MAPT (0.46) HSD17B10MAPTALDH1A1KDM4ELMNA
SCHEMBL6271993 0.65 MAPT (0.48) HSD17B10MAPTALDH1A1KDM4ELMNA
SCHEMBL28795369 0.65 KDM4E (0.49) HSD17B10MAPTALDH1A1KDM4ELMNA
SCHEMBL6703408 0.64 MAPT (0.58) HSD17B10MAPTALDH1A1KDM4ELMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040198793-A1 Chemical process and new intermediates SANOFI-SYNTHELABO (FR) 2004-10-07 US disclosed